CHEBI:124730 - 4,4,4-trifluoro-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4,4,4-trifluoro-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
ChEBI ID CHEBI:124730
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H34F3N3O6S
Net Charge 0
Average Mass 585.638
Monoisotopic Mass 585.21204
InChI InChI=1S/C27H34F3N3O6S/c1-17-5-8-21(9-6-17)40(37,38)32(4)15-24-18(2)14-33(19(3)16-34)26(36)22-13-20(7-10-23(22)39-24)31-25(35)11-12-27(28,29)30/h5-10,13,18-19,24,34H,11-12,14-16H2,1-4H3,(H,31,35)/t18-,19-,24+/m0/s1
InChIKey JIPOAJUGYWELPP-AXHZCLLHSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)C)[C@@H](C)CO
ChEBI Ontology
Outgoing 4,4,4-trifluoro-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide (CHEBI:124730) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-36172 LINCS
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